Crystallography Open Database
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Searching journal of publication like 'Acta crystallographica Section B, Structural science, crystal engineering and materials'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 2100538 | CIF Paper | C13 H11 Cl N2 O2 | P 21 21 21 | 4.8536; 11.8437; 21.0612 90; 90; 90 | 1210.69 | Cuffini, Silvia; Glidewell, Christopher; Low, John N.; de Oliviera, Aline G.; de Souza, Marcus V. N.; Vasconcelos, Thatyana R. A.; Wardell, Solange M. S. V.; Wardell, James L. Nine <i>N</i>-aryl-2-chloronicotinamides: supramolecular structures in one, two and three dimensions Acta Crystallographica Section B, 2006, 62, 651-665 |
| 2100539 | CIF Paper | C13 H8 Cl N3 O | P -1 | 7.2885; 7.7607; 20.8849 96.456; 92.913; 91.81 | 1171.49 | Cuffini, Silvia; Glidewell, Christopher; Low, John N.; de Oliviera, Aline G.; de Souza, Marcus V. N.; Vasconcelos, Thatyana R. A.; Wardell, Solange M. S. V.; Wardell, James L. Nine <i>N</i>-aryl-2-chloronicotinamides: supramolecular structures in one, two and three dimensions Acta Crystallographica Section B, 2006, 62, 651-665 |
| 2100540 | CIF Paper | Ca2 Co0.9 O7 Si2 Zn0.1 | P -4 | 23.518; 23.518; 5.0263 90; 90; 90 | 2780 | Jia, Zihong. H.; Schaper, Andreas K.; Massa, Werner; Rager, Helmut Structure and Phase Transitions in Ca~2~CoSi~2~O~7~ ‒ Ca~2~ZnSi~2~O~7~ Solid Solution Crystals Acta Crystallographica, Section B, 2006, 62, 547-555 |
| 2100541 | CIF Paper | Ca2 Co0.9 O7 Si2 Zn0.1 | P 21 21 2 | 23.518; 23.518; 5.0263 90; 90; 90 | 2780 | Jia, Zihong. H.; Schaper, Andreas K.; Massa, Werner; Rager, Helmut Structure and Phase Transitions in Ca~2~CoSi~2~O~7~ ‒ Ca~2~ZnSi~2~O~7~ Solid Solution Crystals Acta Crystallographica, Section B, 2006, 62, 547-555 |
| 2100542 | CIF Paper | C18 H14 Cl N8 O2.5 | P -1 | 6.9825; 15.7877; 17.878 100.232; 95.906; 100.567 | 1887.81 | V. Ferretti; L. Pretto; M. A. Tabrizi; P. Gilli Role of strong intramolecular N—H···N hydrogen bonds in determining the conformation of adenosine-receptor antagonists Acta Crystallographica Section B, 2006, 62, 634-641 |
| 2100543 | CIF Paper | C22 H22 N8 O3 | P 1 21/c 1 | 11.2816; 24.0888; 8.1651 90; 103.917; 90 | 2153.81 | V. Ferretti; L. Pretto; M. A. Tabrizi; P. Gilli Role of strong intramolecular N—H···N hydrogen bonds in determining the conformation of adenosine-receptor antagonists Acta Crystallographica Section B, 2006, 62, 634-641 |
| 2100544 | CIF Paper | C26 H30 N8 O5 | P -1 | 12.6218; 14.0932; 15.6948 72.867; 71.328; 70.635 | 2439.15 | V. Ferretti; L. Pretto; M. A. Tabrizi; P. Gilli Role of strong intramolecular N—H···N hydrogen bonds in determining the conformation of adenosine-receptor antagonists Acta Crystallographica Section B, 2006, 62, 634-641 |
| 2100545 | CIF Paper | C20 H20 N8 O4 S | P -1 | 10.149; 10.5112; 11.4025 110.185; 97.964; 99.651 | 1099.89 | V. Ferretti; L. Pretto; M. A. Tabrizi; P. Gilli Role of strong intramolecular N—H···N hydrogen bonds in determining the conformation of adenosine-receptor antagonists Acta Crystallographica Section B, 2006, 62, 634-641 |
| 2100546 | CIF Paper | C4 H4 N2 O S | P -1 | 4.2427; 5.9648; 10.5801 105.736; 94.912; 91.927 | 256.32 | Munshi, Parthapratim; Guru Row, T. N. Intra- and intermolecular interactions in small bioactive molecules: cooperative features from experimental and theoretical charge-density analysis Acta Crystallographica Section B, 2006, 62, 612-626 |
| 2100547 | CIF Paper | C4 H7 N3 O2 | P 1 21/c 1 | 7.7161; 9.8337; 7.5131 90; 100.523; 90 | 560.49 | Munshi, Parthapratim; Guru Row, T. N. Intra- and intermolecular interactions in small bioactive molecules: cooperative features from experimental and theoretical charge-density analysis Acta Crystallographica Section B, 2006, 62, 612-626 |
| 2100548 | CIF Paper | C7 H6 O3 | P 1 21/c 1 | 4.8818; 11.2009; 11.2335 90; 92.621; 90 | 613.61 | Munshi, Parthapratim; Guru Row, T. N. Intra- and intermolecular interactions in small bioactive molecules: cooperative features from experimental and theoretical charge-density analysis Acta Crystallographica Section B, 2006, 62, 612-626 |
| 2100549 | CIF Paper | Cr2 O7 P2 | C2/m(\a0\g)0s | 7.0192; 8.4063; 4.6264 90; 108.611; 90 | 258.708 | Palatinus, Lukas; Dusek, Michal; El Bali, Brahim; Glaum, Robert The incommensurately and commensurately modulated crystal structures of chromium(II) diphosphate Acta Crystallographica Section B, 2006, 62, 556-566 |
| 2100550 | CIF Paper | Cr2 O7 P2 | C2/m(\a0\g)0s | 7.0464; 8.4073; 4.6394 90; 108.708; 90 | 260.322 | Palatinus, Lukas; Dusek, Michal; El Bali, Brahim; Glaum, Robert The incommensurately and commensurately modulated crystal structures of chromium(II) diphosphate Acta Crystallographica Section B, 2006, 62, 556-566 |
| 2100551 | CIF HKL Paper | Cr2 O7 P2 | I 1 2/c 1 | 21.1392; 8.4073; 9.2788 90; 108.708; 90 | 1561.93 | Palatinus, Lukas; Dusek, Michal; El Bali, Brahim; Glaum, Robert The incommensurately and commensurately modulated crystal structures of chromium(II) diphosphate Acta Crystallographica Section B, 2006, 62, 556-566 |
| 2100552 | CIF Paper | C5 H6 N2 O Se | P 1 21/c 1 | 4.3411; 14.756; 9.69 90; 90.157; 90 | 620.71 | C. D. Antoniadis; A. J. Blake; S. K. Hadjikakou; N. Hadjiliadis; P. Hubberstey; M. Schröder; C. Wilson Structural characterization of selenium and selenium-diiodine analogues of the antithyroid drug 6-<i>n</i>-propyl-2-thiouracil and its alkyl derivatives Acta Crystallographica Section B, 2006, 62, 580-591 |
| 2100553 | CIF Paper | C6 H8 N2 O Se | P -1 | 8.394; 10.029; 14.931 101.023; 100.893; 105.705 | 1148.5 | C. D. Antoniadis; A. J. Blake; S. K. Hadjikakou; N. Hadjiliadis; P. Hubberstey; M. Schröder; C. Wilson Structural characterization of selenium and selenium-diiodine analogues of the antithyroid drug 6-<i>n</i>-propyl-2-thiouracil and its alkyl derivatives Acta Crystallographica Section B, 2006, 62, 580-591 |
| 2100554 | CIF Paper | C7 H10 N2 O Se | P b c a | 10.568; 11.257; 28.79 90; 90; 90 | 3425 | C. D. Antoniadis; A. J. Blake; S. K. Hadjikakou; N. Hadjiliadis; P. Hubberstey; M. Schröder; C. Wilson Structural characterization of selenium and selenium-diiodine analogues of the antithyroid drug 6-<i>n</i>-propyl-2-thiouracil and its alkyl derivatives Acta Crystallographica Section B, 2006, 62, 580-591 |
| 2100555 | CIF Paper | C7 H10 N2 O Se | P -1 | 8.9192; 10.6403; 15.1965 106.019; 105.366; 96.166 | 1311 | C. D. Antoniadis; A. J. Blake; S. K. Hadjikakou; N. Hadjiliadis; P. Hubberstey; M. Schröder; C. Wilson Structural characterization of selenium and selenium-diiodine analogues of the antithyroid drug 6-<i>n</i>-propyl-2-thiouracil and its alkyl derivatives Acta Crystallographica Section B, 2006, 62, 580-591 |
| 2100556 | CIF Paper | C8 H12 Cl2 N2 O Se | P -1 | 8.841; 11.259; 12.424 90.45; 105.35; 92.945 | 1190.7 | C. D. Antoniadis; A. J. Blake; S. K. Hadjikakou; N. Hadjiliadis; P. Hubberstey; M. Schröder; C. Wilson Structural characterization of selenium and selenium-diiodine analogues of the antithyroid drug 6-<i>n</i>-propyl-2-thiouracil and its alkyl derivatives Acta Crystallographica Section B, 2006, 62, 580-591 |
| 2100557 | CIF Paper | C7 H10 I2 N2 O Se | P -1 | 6.603; 7.7; 13.037 75.969; 86.808; 73.113 | 615.3 | C. D. Antoniadis; A. J. Blake; S. K. Hadjikakou; N. Hadjiliadis; P. Hubberstey; M. Schröder; C. Wilson Structural characterization of selenium and selenium-diiodine analogues of the antithyroid drug 6-<i>n</i>-propyl-2-thiouracil and its alkyl derivatives Acta Crystallographica Section B, 2006, 62, 580-591 |
| 2100558 | CIF Paper | C24 H30 N8 O6 Se2 | P -1 | 4.833; 9.797; 14.1796 83.49; 84.431; 89.353 | 663.91 | C. D. Antoniadis; A. J. Blake; S. K. Hadjikakou; N. Hadjiliadis; P. Hubberstey; M. Schröder; C. Wilson Structural characterization of selenium and selenium-diiodine analogues of the antithyroid drug 6-<i>n</i>-propyl-2-thiouracil and its alkyl derivatives Acta Crystallographica Section B, 2006, 62, 580-591 |
| 2100559 | CIF Paper | C28 H34 N8 O4 Se2 | P -1 | 5.0717; 11.8615; 11.9385 83.161; 82.785; 84.358 | 704.9 | C. D. Antoniadis; A. J. Blake; S. K. Hadjikakou; N. Hadjiliadis; P. Hubberstey; M. Schröder; C. Wilson Structural characterization of selenium and selenium-diiodine analogues of the antithyroid drug 6-<i>n</i>-propyl-2-thiouracil and its alkyl derivatives Acta Crystallographica Section B, 2006, 62, 580-591 |
| 2100560 | CIF Paper | C7 H10 N2 O2 | R -3 :H | 19.9444; 19.9444; 9.8918 90; 90; 120 | 3407.6 | C. D. Antoniadis; A. J. Blake; S. K. Hadjikakou; N. Hadjiliadis; P. Hubberstey; M. Schröder; C. Wilson Structural characterization of selenium and selenium-diiodine analogues of the antithyroid drug 6-<i>n</i>-propyl-2-thiouracil and its alkyl derivatives Acta Crystallographica Section B, 2006, 62, 580-591 |
| 2100561 | CIF Paper | La O3 Ti0.5 Zn0.5 | P 1 21/n 1 | 7.895; 5.5964; 5.5809 90; 90.034; 90 | 246.584 | R. Ubic; Y. Hu; I. Abrahams Neutron and electron diffraction studies of La(Zn~1/2~Ti~1/2~)O~3~ perovskite Acta Crystallographica Section B, 2006, 62, 521-529 |
| 2100562 | CIF Paper | C6 D10 O | P 1 21/n 1 | 11.7105; 7.1198; 6.8621 90; 95.5627; 90 | 569.443 | R. M. Ibberson The low-temperature phase III structure and phase transition behaviour of cyclohexanone Acta Crystallographica Section B, 2006, 62, 592-598 |
| 2100563 | CIF Paper | C4 H10 O | P -3 | 17.55; 17.55; 8.08 90; 90; 120 | 2155 | P. A. McGregor; D. R. Allan; S. Parsons; S. J. Clark Hexamer formation in tertiary butyl alcohol (2-methyl-2-propanol, C4H10O) Acta Crystallographica, Section B, 2006, 62, 599-605 |
| 2100564 | CIF Paper | C4 H10 O | P -3 | 18.0946; 18.0946; 8.4041 90; 90; 120 | 2383 | P. A. McGregor; D. R. Allan; S. Parsons; S. J. Clark Hexamer formation in tertiary butyl alcohol (2-methyl-2-propanol, C~4~H~10~O) Acta Crystallographica Section B, 2006, 62, 599-605 |
| 2100565 | CIF Paper | C4 H10 O | P -1 | 6.0631; 9.0661; 14.4494 85.248; 78.531; 75.8 | 754.136 | P. A. McGregor; D. R. Allan; S. Parsons; S. J. Clark Hexamer formation in tertiary butyl alcohol (2-methyl-2-propanol, C4H10O) Acta Crystallographica, Section B, 2006, 62, 599-605 |
| 2100566 | CIF Paper | C4 H10 O | P -1 | 6.2027; 9.1431; 14.7554 86.373; 78.776; 76.363 | 797.53 | P. A. McGregor; D. R. Allan; S. Parsons; S. J. Clark Hexamer formation in tertiary butyl alcohol (2-methyl-2-propanol, C4H10O) Acta Crystallographica, Section B, 2006, 62, 599-605 |
| 2100567 | CIF Paper | C4 H10 O | P -3 | 17.4389; 17.4389; 8.021 90; 90; 120 | 2112.5 | P. A. McGregor; D. R. Allan; S. Parsons; S. J. Clark Hexamer formation in tertiary butyl alcohol (2-methyl-2-propanol, C4H10O) Acta Crystallographica, Section B, 2006, 62, 599-605 |
| 2100568 | CIF Paper | C4 H10 O | P -3 | 17.5898; 17.5898; 8.1014 90; 90; 120 | 2170.76 | P. A. McGregor; D. R. Allan; S. Parsons; S. J. Clark Hexamer formation in tertiary butyl alcohol (2-methyl-2-propanol, C4H10O) Acta Crystallographica, Section B, 2006, 62, 599-605 |
| 2100569 | CIF Paper | Ba Bi O3 | P 1 21/n 1 | 6.1741; 6.12484; 8.6522 90; 90.2691; 90 | 327.183 | Kennedy, Brendan J.; Howard, Christopher J.; Knight, Kevin S.; Zhang, Zhaoming; Zhou, Qingdi Structures and phase transitions in the ordered double perovskites Ba~2~Bi^III^Bi^V^O~6~ and Ba~2~Bi^III^Sb^V^O~6~ Acta Crystallographica Section B, 2006, 62, 537-546 |
| 2100570 | CIF Paper | Ba Bi O3 | I 1 2/m 1 | 6.18505; 6.13219; 8.65846 90; 90.2288; 90 | 328.395 | Kennedy, Brendan J.; Howard, Christopher J.; Knight, Kevin S.; Zhang, Zhaoming; Zhou, Qingdi Structures and phase transitions in the ordered double perovskites Ba~2~Bi^III^Bi^V^O~6~ and Ba~2~Bi^III^Sb^V^O~6~ Acta Crystallographica Section B, 2006, 62, 537-546 |
| 2100571 | CIF Paper | Ba Bi O3 | R -3 :H | 6.17944; 6.17944; 15.0393 90; 90; 120 | 497.344 | Kennedy, Brendan J.; Howard, Christopher J.; Knight, Kevin S.; Zhang, Zhaoming; Zhou, Qingdi Structures and phase transitions in the ordered double perovskites Ba~2~Bi^III^Bi^V^O~6~ and Ba~2~Bi^III^Sb^V^O~6~ Acta Crystallographica Section B, 2006, 62, 537-546 |
| 2100572 | CIF Paper | Ba Bi O3 | F m -3 m | 8.77586; 8.77586; 8.77586 90; 90; 90 | 675.879 | Kennedy, Brendan J.; Howard, Christopher J.; Knight, Kevin S.; Zhang, Zhaoming; Zhou, Qingdi Structures and phase transitions in the ordered double perovskites Ba~2~Bi^III^Bi^V^O~6~ and Ba~2~Bi^III^Sb^V^O~6~ Acta Crystallographica Section B, 2006, 62, 537-546 |
| 2100573 | CIF Paper | Ba2 Bi O6 Sb | I 1 2/m 1 | 6.06777; 6.01862; 8.50818 90; 90.2161; 90 | 310.713 | Kennedy, Brendan J.; Howard, Christopher J.; Knight, Kevin S.; Zhang, Zhaoming; Zhou, Qingdi Structures and phase transitions in the ordered double perovskites Ba~2~Bi^III^Bi^V^O~6~ and Ba~2~Bi^III^Sb^V^O~6~ Acta Crystallographica Section B, 2006, 62, 537-546 |
| 2100574 | CIF Paper | Ba2 Bi O6 Sb | R -3 :H | 6.05716; 6.05716; 14.7813 90; 90; 120 | 469.658 | Kennedy, Brendan J.; Howard, Christopher J.; Knight, Kevin S.; Zhang, Zhaoming; Zhou, Qingdi Structures and phase transitions in the ordered double perovskites Ba~2~Bi^III^Bi^V^O~6~ and Ba~2~Bi^III^Sb^V^O~6~ Acta Crystallographica Section B, 2006, 62, 537-546 |
| 2100575 | CIF Paper | Ba2 Bi O6 Sb | F m -3 m | 8.5793; 8.57934; 8.57934 90; 90; 90 | 631.48 | Kennedy, Brendan J.; Howard, Christopher J.; Knight, Kevin S.; Zhang, Zhaoming; Zhou, Qingdi Structures and phase transitions in the ordered double perovskites Ba~2~Bi^III^Bi^V^O~6~ and Ba~2~Bi^III^Sb^V^O~6~ Acta Crystallographica Section B, 2006, 62, 537-546 |
| 2100576 | CIF Paper | C12 H15 N3 O6 | P 63/m | 10.9992; 10.9992; 6.7639 90; 90; 120 | 708.68 | Tremayne, Maryjane; Kariuki, Benson M.; Chong, Samantha Y.; Seaton, Colin C. Molecular versus crystal symmetry in tri-substituted triazine, benzene and isocyanurate derivatives Acta Crystallographica, Section B, 2006, 62, 864-874 |
| 2100577 | CIF Paper | C9 H15 N3 O6 | P 21/n | 10.4105; 13.1294; 8.6735 90; 98.222; 90 | 1173.34 | Tremayne, Maryjane; Kariuki, Benson M.; Chong, Samantha Y.; Seaton, Colin C. Molecular versus crystal symmetry in tri-substituted triazine, benzene and isocyanurate derivatives Acta Crystallographica, Section B, 2006, 62, 864-874 |
| 2100578 | CIF Paper | C12 H15 N3 O6 | P 63/m | 10.983; 10.983; 6.7555 90; 90; 120 | 705.72 | Tremayne, Maryjane; Kariuki, Benson M.; Chong, Samantha Y.; Seaton, Colin C. Molecular versus crystal symmetry in tri-substituted triazine, benzene and isocyanurate derivatives Acta Crystallographica, Section B, 2006, 62, 864-874 |
| 2100579 | CIF Paper | C15 H18 O6 | P 61 | 11.3588; 11.3588; 20.2725 90; 90; 120 | 2265.18 | Tremayne, Maryjane; Kariuki, Benson M.; Chong, Samantha Y.; Seaton, Colin C. Molecular versus crystal symmetry in tri-substituted triazine, benzene and isocyanurate derivatives Acta Crystallographica, Section B, 2006, 62, 864-874 |
| 2100580 | CIF Paper | C9 H10 N2 O2 | P 1 21/n 1 | 4.8591; 14.395; 12.25 90; 92.151; 90 | 856.2 | Broder, Charlotte K.; Barnett, Sarah A.; Gutmann, Matthias J.; Shankland, Kenneth; Wilson, Chick C. Accurate molecular structures and hydrogen bonding in two polymorphs of <i>ortho</i>-acetamidobenzamide by single-crystal neutron diffraction Acta Crystallographica Section B, 2006, 62, 926-930 |
| 2100581 | CIF Paper | C9 H10 N2 O2 | P 1 21/c 1 | 7.788; 8.972; 12.547 90; 101.12; 90 | 860.2 | Broder, Charlotte K.; Barnett, Sarah A.; Gutmann, Matthias J.; Shankland, Kenneth; Wilson, Chick C. Accurate molecular structures and hydrogen bonding in two polymorphs of <i>ortho</i>-acetamidobenzamide by single-crystal neutron diffraction Acta Crystallographica Section B, 2006, 62, 926-930 |
| 2100582 | CIF Paper | C13 H9 I N2 O3 | P 1 21/c 1 | 13.1804; 7.5099; 13.8849 90; 111.163; 90 | 1281.68 | Wardell, James L.; Low, John Nicolson; Skakle, Janet M.S.; Glidewell, Christopher Isomeric N-(iodophenyl)nitrobenzamides form different three-dimensional framework structures Acta Crystallographica, Section B, 2006, 62, 931-943 |
| 2100583 | CIF Paper | C13 H9 I N2 O3 | P 1 c 1 | 10.0528; 4.8703; 13.5719 90; 109.945; 90 | 624.63 | Wardell, James L.; Low, John Nicolson; Skakle, Janet M.S.; Glidewell, Christopher Isomeric N-(iodophenyl)nitrobenzamides form different three-dimensional framework structures Acta Crystallographica, Section B, 2006, 62, 931-943 |
| 2100584 | CIF Paper | C13 H9 I N2 O3 | P 1 21 1 | 11.0552; 8.9521; 12.8921 90; 96.3899; 90 | 1267.97 | Wardell, James L.; Low, John Nicolson; Skakle, Janet M.S.; Glidewell, Christopher Isomeric N-(iodophenyl)nitrobenzamides form different three-dimensional framework structures Acta Crystallographica, Section B, 2006, 62, 931-943 |
| 2100585 | CIF Paper | C13 H9 I N2 O3 | C 1 c 1 | 13.8494; 10.0495; 9.4203 90; 105.235; 90 | 1265.03 | Wardell, James L.; Low, John Nicolson; Skakle, Janet M.S.; Glidewell, Christopher Isomeric N-(iodophenyl)nitrobenzamides form different three-dimensional framework structures Acta Crystallographica, Section B, 2006, 62, 931-943 |
| 2100586 | CIF Paper | C13 H9 I N2 O3 | P 1 21/n 1 | 7.4798; 14.0889; 11.8138 90; 93.259; 90 | 1242.95 | Wardell, James L.; Low, John Nicolson; Skakle, Janet M.S.; Glidewell, Christopher Isomeric N-(iodophenyl)nitrobenzamides form different three-dimensional framework structures Acta Crystallographica, Section B, 2006, 62, 931-943 |
| 2100587 | CIF Paper | C13 H9 I N2 O3 | P -1 | 5.1047; 15.3015; 16.4806 95.356; 95.498; 91.15 | 1275.23 | Wardell, James L.; Low, John Nicolson; Skakle, Janet M.S.; Glidewell, Christopher Isomeric N-(iodophenyl)nitrobenzamides form different three-dimensional framework structures Acta Crystallographica, Section B, 2006, 62, 931-943 |
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